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Bovine Metabolome Database



Showing metabocard for (S)-5-Amino-3-oxohexanoate (BMDB12131)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2009-04-06 17:19:44
Update Date 2009-06-04 13:49:02
Accession Number BMDB12131
Common Name (S)-5-Amino-3-oxohexanoate
Description S)-5-Amino-3-oxohexanoate is an intermediate in lysine degradation. L-Lysine is an essential amino acid that is a necessary building block for all protein in the body and It plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the body's production of hormones, enzymes, and antibodies. In lysine degradation pathway, (S)-5-Amino-3-oxohexanoate is a substrate for the enzyme L-erythro-3,5-diaminohexanoate dehydrogenase (EC 1.4.1.11) and can be generated from L-erythro-3,5-Diaminohexanoate.
Synonyms
  1. (S)-5-Amino-3-oxohexanoic acid
  2. 3-Keto-5-aminohexanoate
  3. 5-Amino-3-oxohexanoic acid
Chemical IUPAC Name 5-amino-3-oxohexanoic acid
Chemical Formula C6H11NO3
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
Class
Sub Class
Family
  • Mammalian_Metabolite
Species
  • ketone; primary amine; primary aliphatic amine (alkylamine); carboxylic acid
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 145.156
Monoisotopic Molecular Weight 145.073898
Isomeric SMILES C[C@H](N)CC(=O)CC(O)=O
Canonical SMILES CC(N)CC(=O)CC(O)=O
KEGG Compound ID C03656 Link Image
BioCyc ID CPD-159 Link Image
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound 358 Link Image
PubChem Substance 24438733 Link Image
ChEBI ID 27713 Link Image
CAS Registry Number 19355-90-9
InChI Identifier InChI=1/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 64.299995 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -2.45 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Not Available
Not Available
Predicted 13C NMR Spectrum Not Available
Not Available
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References Not Available